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5'-Tert-butoxycarbonyl-1,5-dihydro-3,3'-dimethyl-4-[2-(methylsulfonyloxy)ethyl]-5-oxo-2,2'-pyrromethen-4'-propionic acid-methylester

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5'-Tert-butoxycarbonyl-1,5-dihydro-3,3'-dimethyl-4-[2-(methylsulfonyloxy)ethyl]-5-oxo-2,2'-pyrromethen-4'-propionic acid-methylester
SpectraBase Compound ID 38EFt82kQ56
InChI InChI=1S/C23H32N2O8S/c1-13-15(8-9-19(26)31-6)20(22(28)33-23(3,4)5)24-17(13)12-18-14(2)16(21(27)25-18)10-11-32-34(7,29)30/h12,24H,8-11H2,1-7H3,(H,25,27)
InChIKey YBYVIHKCOQYJPJ-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C23H32N2O8S
Exact Mass 496.187937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5d1Ha6kVT8K
Name 5'-Tert-butoxycarbonyl-1,5-dihydro-3,3'-dimethyl-4-[2-(methylsulfonyloxy)ethyl]-5-oxo-2,2'-pyrromethen-4'-propionic acid-methylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.187937164 u
Formula C23H32N2O8S
InChI InChI=1S/C23H32N2O8S/c1-13-15(8-9-19(26)31-6)20(22(28)33-23(3,4)5)24-17(13)12-18-14(2)16(21(27)25-18)10-11-32-34(7,29)30/h12,24H,8-11H2,1-7H3,(H,25,27)
InChIKey YBYVIHKCOQYJPJ-UHFFFAOYSA-N
Molecular Weight 496.575 g/mol
SMILES C=1(C(N\C(C1C)=C\C=1NC(=C(C1C)CCC(OC)=O)C(OC(C)(C)C)=O)=O)CCOS(C)(=O)=O